4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene

C13H9Br2FO — CID 107087063

IUPAC4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2cc(Br)ccc2CBr)cc1
InChIInChI=1S/C13H9Br2FO/c14-8-9-1-2-10(15)7-13(9)17-12-5-3-11(16)4-6-12/h1-7H,8H2
InChIKeyMVISMQVHQULZBI-UHFFFAOYSA-N
MW360.02 g/mol
LogP5.28
Rot. Bonds3

About 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene

4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene (PubChem CID 107087063) has the molecular formula C13H9Br2FO and a molecular weight of 360.02 g/mol. Its IUPAC name is 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene
PubChem CID107087063
Molecular FormulaC13H9Br2FO
Molecular Weight360.02 g/mol
Exact Mass357.90
IUPAC Name4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2cc(Br)ccc2CBr)cc1
InChIInChI=1S/C13H9Br2FO/c14-8-9-1-2-10(15)7-13(9)17-12-5-3-11(16)4-6-12/h1-7H,8H2
InChIKeyMVISMQVHQULZBI-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.02
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-2-(bromomethyl)phenoxy]-2,4-difluorobenzene
CID 107086532
4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene
CID 107169735
4-bromo-1-(bromomethyl)-2-(4-fluoro-3-methylphenoxy)benzene
CID 107088968
4-bromo-1-(bromomethyl)-2-(4-methylsulfonylphenoxy)benzene
CID 107087837
N-[[4-bromo-2-(4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283161
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
1-[5-bromo-2-(bromomethyl)phenoxy]-4-fluoro-2-nitrobenzene
CID 107088360
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966600
1-[5-bromo-2-(bromomethyl)phenoxy]-2,3-dimethylbenzene
CID 107086768
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene?
The IUPAC name of 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene (CID 107087063) is 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene.
What is the SMILES notation for 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene?
The canonical SMILES for 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene is Fc1ccc(Oc2cc(Br)ccc2CBr)cc1.
What is the InChIKey of 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene?
The InChIKey is MVISMQVHQULZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FO/c14-8-9-1-2-10(15)7-13(9)17-12-5-3-11(16)4-6-12/h1-7H,8H2.
What are the key properties of 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene?
4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene has a molecular weight of 360.02 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene is sourced from PubChem (CID 107087063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).